Geometry & MOs

Info

ID:	287850
PubChem CID:	104296435
Reduced:	BrOSH11C13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	367.98148
ΔH_f, kcal/mol:	3.29
Dipole, Da:	4.17
IP(EA), eV:	-9.41(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)C2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations